7G1K: Crystal Structure of human FABP4 in complex with 4-(4-fluorophenyl)sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylic acid, i.e. SMILES c1(c(c(nc(n1)c1ccccc1)C)C(=O)O)Sc1ccc(cc1)F with IC50=0.867 microM

PDB ID: 7G1KDownload
MMDB ID: 231466
PDB Deposition Date: 2023/4/27
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.12  Å
Source Organism:
Similar Structures:
Biological Unit for 7G1K: monomeric; determined by author and by software (PISA)
Molecular Components in 7G1K
Label Count Molecule
Protein (1 molecule)
1
Fatty Acid-binding Protein, Adipocyte
(Gene symbol: FABP4)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid
2
2
SULFATE IONSULFATE ION
3
1
FORMIC ACIDFORMIC ACID
4
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303